N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide

C21H23N3O2 — CID 10337895

IUPACN-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C21H23N3O2/c22-18-7-3-4-8-19(18)24-21(26)17-11-9-16(10-12-17)14-23-20(25)13-15-5-1-2-6-15/h1,3-5,7-12,15H,2,6,13-14,22H2,(H,23,25)(H,24,26)
InChIKeyNDMLTLHUQWEMKV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.49
Rot. Bonds6

About N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide (PubChem CID 10337895) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
PubChem CID10337895
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C21H23N3O2/c22-18-7-3-4-8-19(18)24-21(26)17-11-9-16(10-12-17)14-23-20(25)13-15-5-1-2-6-15/h1,3-5,7-12,15H,2,6,13-14,22H2,(H,23,25)(H,24,26)
InChIKeyNDMLTLHUQWEMKV-UHFFFAOYSA-N
XLogP3.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 51714392
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385742
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]acetamide
CID 52511200
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 90131501
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 51106744

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide (CID 10337895) is N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)CC2C=CCC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide?
The InChIKey is NDMLTLHUQWEMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-18-7-3-4-8-19(18)24-21(26)17-11-9-16(10-12-17)14-23-20(25)13-15-5-1-2-6-15/h1,3-5,7-12,15H,2,6,13-14,22H2,(H,23,25)(H,24,26).
What are the key properties of N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 10337895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).